SCHEMBL9622229

SCHEMBL9622229

COc1cc(OC)nc(Oc2cccc(Cl)c2C(=O)OCc2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ATM Q13315 1/20 0.49
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9193808 0.92 ALDH1A1 (0.52) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9682835 0.90 KMT2A (0.43) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL9221963 0.88 CYP1A2 (0.52) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9191891 0.88 ALDH1A1 (0.48) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL10534108 0.88 CYP1A2 (0.59) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9220565 0.88 NPSR1 (0.53) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9622245 0.86 NPSR1 (0.58) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9765529 0.86 CYP1A2 (0.47) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9615079 0.86 ALDH1A1 (0.52) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9379389 0.85 NPSR1 (0.57) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249708-B1 2-PHENOXYPYRIMIDINE DERIVATIVE AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-03-11 EP claimed
US-4900352-A 2-Phenoxypyimidine derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-02-13 US claimed
EP-0249708-B1 2-PHENOXYPYRIMIDINE DERIVATIVE AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-03-11 EP disclosed
US-4985066-A 2-phenoxypyrimidine derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-01-15 US disclosed
US-4900352-A 2-Phenoxypyimidine derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-02-13 US disclosed
EP-0249708-A1 2-Phenoxypyrimidine derivative and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-12-23 EP disclosed